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Search term: JTLHPKSZESHKCP-IBGZPJMESA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 1-Acryloyl-N-{4-[(3-chloro-2,4-difluorophenyl)amino]-7-(2-methoxyethoxy)-6-quinazolinyl}-L-prolinamide | C25H24ClF2N5O4

1-Acryloyl-N-{4-[(3-chloro-2,4-difluorophenyl)amino]-7-(2-methoxyethoxy)-6-quinazolinyl}-L-prolinamide

  • Molecular FormulaC25H24ClF2N5O4
  • Average mass531.939 Da
  • Monoisotopic mass531.148499 Da
  • ChemSpider ID24635461

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-Acryloyl-N-{4-[(3-chlor-2,4-difluorphenyl)amino]-7-(2-methoxyethoxy)-6-chinazolinyl}-L-prolinamid [German] [ACD/IUPAC Name]
1-Acryloyl-N-{4-[(3-chloro-2,4-difluorophenyl)amino]-7-(2-methoxyethoxy)-6-quinazolinyl}-L-prolinamide [ACD/IUPAC Name]
1-Acryloyl-N-{4-[(3-chloro-2,4-difluorophényl)amino]-7-(2-méthoxyéthoxy)-6-quinazolinyl}-L-prolinamide [French] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, N-[4-[(3-chloro-2,4-difluorophenyl)amino]-7-(2-methoxyethoxy)-6-quinazolinyl]-1-(1-oxo-2-propen-1-yl)-, (2S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 711.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.0±3.0 kJ/mol
Flash Point: 384.1±32.9 °C
Index of Refraction: 1.649
Molar Refractivity: 135.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.29
ACD/LogD (pH 5.5): 3.75
ACD/BCF (pH 5.5): 377.34
ACD/KOC (pH 5.5): 2164.30
ACD/LogD (pH 7.4): 3.92
ACD/BCF (pH 7.4): 565.38
ACD/KOC (pH 7.4): 3242.86
Polar Surface Area: 106 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 64.7±3.0 dyne/cm
Molar Volume: 371.6±3.0 cm3

Click to predict properties on the Chemicalize site


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